Molecule FYI-1007998

A

Molecule Summary:

ID: FYI-1007998
Names:
InChIKey: MBYGOGPIQTZBHQ-WYCDGMCDSA-I
SMILES: [NH3+][C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]

Received at FYIcenter.com on: 2024-03-24

Molecule ID: FYI-1007998 Edit

Molecule Structure InChIKey: MBYGOGPIQTZBHQ-WYCDGMCDSA-I

Molecule Structure SMILES String: [NH3+][C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007998
FYIcenter.com

 41 40  0  0  1  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 21  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  6  0  0  0
 12 21  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  6  0  0  0
 21 38  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  1  0  0  0
 30 41  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 29  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  1  0  0  0
 39 41  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007998-3D
FYIcenter.com

 63 62  0  0  1  0  0  0  0  0999 V2000
    1.1311    0.2573   -0.2333 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6094   -0.0019   -0.0910 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9700   -0.0767    1.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    1.1546    2.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492    1.6953    1.6699 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    1.4515    3.1889 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9078   -1.3245   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9630   -2.0018   -1.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2253   -1.6462   -0.9319 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8034   -2.7095   -1.7696 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3454   -2.6916   -3.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7425   -1.4229   -3.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2352   -0.3474   -3.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4353   -1.6019   -5.0136 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3487   -2.5723   -1.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8311   -1.6121   -1.0251 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0773   -3.5805   -2.2022 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5416   -3.7447   -2.1457 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1362   -3.7067   -0.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7644   -4.8719    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5205   -5.0330    0.3821 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7316   -5.4816    0.6745 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9148   -5.0498   -2.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0261   -5.7812   -3.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2613   -5.2592   -3.1571 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8569   -6.4502   -3.8504 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4038   -6.5094   -5.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7433   -7.7849   -6.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5016   -7.7345   -7.3101 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1589   -8.7579   -5.3831 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.4186   -6.2938   -3.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9164   -5.1614   -3.7189 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -7.4543   -3.7674 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6753   -7.5596   -3.7852 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.3117   -6.8900   -2.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8439   -6.7572   -2.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3879   -6.0353   -3.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3956   -7.2098   -1.4472 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.2016   -9.0542   -3.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3941   -9.2263   -4.2767 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570   -9.9657   -3.6027 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9051    1.0346    0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9123    0.5054   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    0.8331   -0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0538   -0.1877    1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5456   -7.3311   -3.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8194   -5.6576   -5.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3135   -6.4214   -5.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6857   -8.3129   -4.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9914   -7.0429   -4.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9600   -7.3909   -1.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9462   -5.8580   -2.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 45  1  6  0  0  0
  3  4  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 49  1  1  0  0  0
 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
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 18 23  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
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 26 27  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 34 61  1  6  0  0  0
 35 36  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 137👍, 0💬